Hex-2-EN-1-YL hexanoate

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  • Identifiers

    Molecular formula
    C12H22O2

    SMILES
    CCCCCC(=O)OCC=CCCC

  • Odor profile

    Fruity 93.84%
    Green 88.14%
    Apple 64.12%
    Waxy 63.55%
    Tropical 62.79%
    Pear 58.41%
    Pineapple 54.09%
    Fatty 50.57%
    Banana 44.21%
    Winey 43.7%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point est.
    109.03 ˚C

  • Synonyms

    • HEX-2-EN-1-YL HEXANOATE
    • (E)-2-hexen-1-yl hexanoate
    • DTXSID90866319
    • UQPLEMTXCSYMEK-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5840.56
    methanol 6284.0
    isopropanol 3932.43
    water 0.16
    ethyl acetate 5665.34
    n-propanol 3750.3
    acetone 8722.86
    n-butanol 3559.7
    acetonitrile 4263.05
    DMF 6224.01
    toluene 1997.7
    isobutanol 2957.77
    1,4-dioxane 4729.85
    methyl acetate 3328.55
    THF 7442.89
    2-butanone 5038.72
    n-pentanol 2233.07
    sec-butanol 3235.97
    n-hexane 833.09
    ethylene glycol 412.87
    NMP 4437.51
    cyclohexane 1353.72
    DMSO 7394.55
    n-butyl acetate 3698.15
    n-octanol 809.47
    chloroform 7173.87
    n-propyl acetate 2759.85
    acetic acid 3434.47
    dichloromethane 8229.61
    cyclohexanone 6692.5
    propylene glycol 736.54
    isopropyl acetate 3291.24
    DMAc 3697.99
    2-ethoxyethanol 2161.48
    isopentanol 2985.82
    n-heptane 305.16
    ethyl formate 2118.66
    1,2-dichloroethane 6734.92
    n-hexanol 2197.18
    2-methoxyethanol 3979.09
    isobutyl acetate 1524.02
    tetrachloromethane 1095.48
    n-pentyl acetate 1798.78
    transcutol 7915.41
    n-heptanol 736.76
    ethylbenzene 947.01
    MIBK 2367.83
    2-propoxyethanol 2762.47
    tert-butanol 4256.45
    MTBE 4678.3
    2-butoxyethanol 1325.57
    propionic acid 2275.25
    o-xylene 978.76
    formic acid 643.06
    diethyl ether 5656.49
    m-xylene 1175.8
    p-xylene 1136.54
    chlorobenzene 2464.34
    dimethyl carbonate 884.5
    n-octane 115.85
    formamide 1162.95
    cyclopentanone 5711.85
    2-pentanone 5134.54
    anisole 1621.15
    cyclopentyl methyl ether 4116.67
    gamma-butyrolactone 5139.58
    1-methoxy-2-propanol 3115.26
    pyridine 4891.47
    3-pentanone 3110.21
    furfural 3191.85
    n-dodecane 76.74
    diethylene glycol 1530.38
    diisopropyl ether 1386.02
    tert-amyl alcohol 3342.83
    acetylacetone 4215.81
    n-hexadecane 92.24
    acetophenone 1453.64
    methyl propionate 3093.51
    isopentyl acetate 2905.81
    trichloroethylene 9441.31
    n-nonanol 690.44
    cyclohexanol 3424.6
    benzyl alcohol 1237.14
    2-ethylhexanol 1362.53
    isooctanol 651.68
    dipropyl ether 1826.12
    1,2-dichlorobenzene 1948.51
    ethyl lactate 748.48
    propylene carbonate 2499.6
    n-methylformamide 2539.09
    2-pentanol 2689.91
    n-pentane 642.56
    1-propoxy-2-propanol 2181.73
    1-methoxy-2-propyl acetate 2342.23
    2-(2-methoxypropoxy) propanol 1233.02
    mesitylene 701.57
    ε-caprolactone 4536.25
    p-cymene 503.29
    epichlorohydrin 6324.5
    1,1,1-trichloroethane 5092.82
    2-aminoethanol 1219.45
    morpholine-4-carbaldehyde 3457.18
    sulfolane 5350.75
    2,2,4-trimethylpentane 244.37
    2-methyltetrahydrofuran 6444.27
    n-hexyl acetate 2284.43
    isooctane 204.97
    2-(2-butoxyethoxy)ethanol 1934.76
    sec-butyl acetate 1841.44
    tert-butyl acetate 2729.5
    decalin 427.41
    glycerin 785.84
    diglyme 3415.05
    acrylic acid 1591.59
    isopropyl myristate 706.46
    n-butyric acid 4360.64
    acetyl acetate 2476.56
    di(2-ethylhexyl) phthalate 567.58
    ethyl propionate 2285.04
    nitromethane 5481.6
    1,2-diethoxyethane 3455.13
    benzonitrile 1921.65
    trioctyl phosphate 415.65
    1-bromopropane 4617.08
    gamma-valerolactone 5619.09
    n-decanol 472.29
    triethyl phosphate 646.7
    4-methyl-2-pentanol 1228.18
    propionitrile 3009.17
    vinylene carbonate 2100.03
    1,1,2-trichlorotrifluoroethane 3173.24
    DMS 1450.51
    cumene 549.49
    2-octanol 601.05
    2-hexanone 2769.13
    octyl acetate 871.57
    limonene 1003.11
    1,2-dimethoxyethane 3891.8
    ethyl orthosilicate 660.8
    tributyl phosphate 625.47
    diacetone alcohol 2284.73
    N,N-dimethylaniline 1022.64
    acrylonitrile 3063.03
    aniline 1984.57
    1,3-propanediol 1932.15
    bromobenzene 2863.81
    dibromomethane 5804.67
    1,1,2,2-tetrachloroethane 7161.96
    2-methyl-cyclohexyl acetate 1264.4
    tetrabutyl urea 779.52
    diisobutyl methanol 703.45
    2-phenylethanol 1258.01
    styrene 1373.55
    dioctyl adipate 979.12
    dimethyl sulfate 1230.89
    ethyl butyrate 2038.27
    methyl lactate 996.27
    butyl lactate 1111.76
    diethyl carbonate 1093.95
    propanediol butyl ether 1251.47
    triethyl orthoformate 1075.36
    p-tert-butyltoluene 474.85
    methyl 4-tert-butylbenzoate 1047.57
    morpholine 7050.82
    tert-butylamine 2882.39
    n-dodecanol 344.77
    dimethoxymethane 3366.73
    ethylene carbonate 1878.96
    cyrene 914.19
    2-ethoxyethyl acetate 2097.76
    2-ethylhexyl acetate 2109.3
    1,2,4-trichlorobenzene 2103.39
    4-methylpyridine 4715.39
    dibutyl ether 1823.19
    2,6-dimethyl-4-heptanol 703.45
    DEF 4707.09
    dimethyl isosorbide 1965.55
    tetrachloroethylene 4338.62
    eugenol 1003.0
    triacetin 1547.51
    span 80 1252.54
    1,4-butanediol 712.89
    1,1-dichloroethane 6194.57
    2-methyl-1-pentanol 1954.44
    methyl formate 1531.93
    2-methyl-1-butanol 2788.08
    n-decane 145.03
    butyronitrile 4036.87
    3,7-dimethyl-1-octanol 912.8
    1-chlorooctane 760.04
    1-chlorotetradecane 244.09
    n-nonane 154.85
    undecane 100.47
    tert-butylcyclohexane 353.35
    cyclooctane 294.35
    cyclopentanol 2878.86
    tetrahydropyran 7772.27
    tert-amyl methyl ether 2788.69
    2,5,8-trioxanonane 2065.35
    1-hexene 2639.11
    2-isopropoxyethanol 1662.02
    2,2,2-trifluoroethanol 672.79
    methyl butyrate 3350.96

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction